(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one

C18H18O3 — CID 129365943

IUPAC(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1OC)C[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C18H18O3/c1-20-17-9-8-14-15(18(17)21-2)10-13(11-16(14)19)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyUSXIKZJOBQKJFM-ZDUSSCGKSA-N
MW282.34 g/mol
LogP3.62
Rot. Bonds3

About (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one

(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 129365943) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID129365943
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1OC)C[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C18H18O3/c1-20-17-9-8-14-15(18(17)21-2)10-13(11-16(14)19)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyUSXIKZJOBQKJFM-ZDUSSCGKSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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9-(3,4-dimethoxyphenyl)-10-naphthalen-1-yl-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139234919
6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
CID 22325058
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CID 82129493
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CID 135438782
(4R,7R)-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444362
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol
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1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 129365943) is (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1OC)C[C@H](c1ccccc1)CC2=O.
What is the InChIKey of (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is USXIKZJOBQKJFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-17-9-8-14-15(18(17)21-2)10-13(11-16(14)19)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one?
(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 129365943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).